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1159822-73-7

1159822-73-7 | 4-Pyrimidinamine, 6-chloro-N-(2,2-dimethoxyethyl)-

CAS No: 1159822-73-7 Catalog No: AG000HB8 MDL No:MFCD12068366

Product Description

Catalog Number:
AG000HB8
Chemical Name:
4-Pyrimidinamine, 6-chloro-N-(2,2-dimethoxyethyl)-
CAS Number:
1159822-73-7
Molecular Formula:
C8H12ClN3O2
Molecular Weight:
217.6528
MDL Number:
MFCD12068366
IUPAC Name:
6-chloro-N-(2,2-dimethoxyethyl)pyrimidin-4-amine
InChI:
InChI=1S/C8H12ClN3O2/c1-13-8(14-2)4-10-7-3-6(9)11-5-12-7/h3,5,8H,4H2,1-2H3,(H,10,11,12)
InChI Key:
RITZCZHXWUGXCP-UHFFFAOYSA-N
SMILES:
COC(CNc1ncnc(c1)Cl)OC

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.653g/mol
Monoisotopic Mass:
217.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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